[gmx-users] grompp

[Mark Abraham]

> Dear Gromacs users,
>
> When I tried to build up  .tpr file for running energy minimisation, I
> encountered some problems:
>
> This is the command I used:
>
>
>  grompp -f em.mdp -p topol.top -c out.gro -o pr.tpr
>
>
> and I received the following error message:
>
> Fatal error:
> Invalid order for directive system, file ""topol.top"", line 4
> -------------------------------------------------------
>
>
> How can I solve this?

http://wiki.gromacs.org/index.php/Errors#Invalid_order_for_directive_defaults

Read chapter 5 of the manual.

Mark